Mol:FL1C1AGS0003

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FL1C1AGS0003.png

 
 
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 30 32  0  0  0  0  0  0  0  0999 V2000 
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   -4.2918    1.3571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
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  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
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 25 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  31 
M  SMT   1  CH2OH 
M  SVB   1 31    -3.306    1.1894 
S  SKP  8 
ID	FL1C1AGS0003 
KNApSAcK_ID	C00007185 
NAME	Neoisoliquiritin 
CAS_RN	59122-93-9 
FORMULA	C21H22O9 
EXACTMASS	418.126382302 
AVERAGEMASS	418.39398 
SMILES	Oc(c3)ccc(c3)C=CC(=O)c(c2)c(cc(c2)O[C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)C1CO)O 
M  END
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